(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

C22H31N3O5 — CID 42454269

About (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 42454269) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
• PubChem CID: 42454269
• Molecular Formula: C22H31N3O5
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.23
• IUPAC Name: (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
• SMILES: COc1ccc(OC)c(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)c1
• InChI: InChI=1S/C22H31N3O5/c1-29-18-7-8-19(30-2)17(13-18)14-23-22(28)16-6-9-21(27)25(15-16)12-4-11-24-10-3-5-20(24)26/h7-8,13,16H,3-6,9-12,14-15H2,1-2H3,(H,23,28)/t16-/m1/s1
• InChIKey: WEIJIRVICRZPCZ-MRXNPFEDSA-N
• XLogP: 1.57
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide (CID 42454269) is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is COc1ccc(OC)c(CNC(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)c1.

What is the InChIKey of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?

The InChIKey is WEIJIRVICRZPCZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-29-18-7-8-19(30-2)17(13-18)14-23-22(28)16-6-9-21(27)25(15-16)12-4-11-24-10-3-5-20(24)26/h7-8,13,16H,3-6,9-12,14-15H2,1-2H3,(H,23,28)/t16-/m1/s1.

What are the key properties of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide?

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 42454269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).